4'-Methylphenyl[Methyl 2,3-O-isopropylidene-5-(toluene-4-sulfonamido)-5-deoxy-.beta.,D-allofuranoside]thiouronate

SpectraBase Compound ID	3Fln44faGV3
InChI	InChI=1S/C24H29NO7S2/c1-14-6-10-16(11-7-14)33-22(26)18(25-34(27,28)17-12-8-15(2)9-13-17)19-20-21(23(29-5)30-19)32-24(3,4)31-20/h6-13,18-21,23,25H,1-5H3/t18-,19+,20+,21+,23+/m0/s1
InChIKey	ALRAIXMVTXHFEL-QBRBXANFSA-N Google Search
Mol Weight	507.62 g/mol
Molecular Formula	C24H29NO7S2
Exact Mass	507.138545 g/mol

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SpectraBase Spectrum ID	J3TrbXwoVNh
Name	4'-Methylphenyl[Methyl 2,3-O-isopropylidene-5-(toluene-4-sulfonamido)-5-deoxy-.beta.,D-allofuranoside]thiouronate
Alternate Name(s)	(S)-((3aR,4R,6R,6aR)-6-Methoxy-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxol-4-yl)-(toluene-4-sulfonylamino)-thioacetic acid S-p-tolyl ester Methyl S-4-methylphenyl 5-deoxy-2,3-O-(1-methylethylidene)-5-{[(4-methylphenyl)sulfonyl]amino}-6-thio-D-erythro-hexofuranosiduronate (2S)-2-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-[(4-methylphenyl)sulfonylamino]ethanethioic acid S-(4-methylphenyl) ester S-(p-tolyl) (2S)-2-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-(p-tolylsulfonylamino)ethanethioate S-(4-methylphenyl) (2S)-2-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-[(4-methylphenyl)sulfonylamino]ethanethioate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C24H29NO7S2
InChI	InChI=1S/C24H29NO7S2/c1-14-6-10-16(11-7-14)33-22(26)18(25-34(27,28)17-12-8-15(2)9-13-17)19-20-21(23(29-5)30-19)32-24(3,4)31-20/h6-13,18-21,23,25H,1-5H3/t18-,19+,20+,21+,23+/m0/s1
InChIKey	ALRAIXMVTXHFEL-QBRBXANFSA-N
Molecular Weight	507.616 g/mol
SMILES	N([C@@]([C@@]1([C@@]2([C@@](OC(O2)(C)C)([C@@](O1)(OC)[H])[H])[H])[H])(C(Sc1ccc(cc1)C)=O)[H])S(c1ccc(cc1)C)(=O)=O
SPLASH	splash10-0006-5901500000-8d4ca21984f65370ac6a
Source of Spectrum	J-60-6439-42
Wiley ID	538405